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Author Wende, K.; Williams, P.; Dalluge, J.; Van Gaens, W.; Aboubakr, H.; Bischof, J.; von Woedtke, T.; Goyal, S.M.; Weltmann, K.D.; Bogaerts, A.; Masur, K.; Bruggeman, P.J.;
Title Identification of the biologically active liquid chemistry induced by a nonthermal atmospheric pressure plasma jet Type A1 Journal article
Year 2015 Publication Biointerphases Abbreviated Journal Biointerphases
Volume 10 Issue 10 Pages 029518
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The mechanism of interaction of cold nonequilibrium plasma jets with mammalian cells in physiologic liquid is reported. The major biological active species produced by an argon RF plasma jet responsible for cell viability reduction are analyzed by experimental results obtained through physical, biological, and chemical diagnostics. This is complemented with chemical kinetics modeling of the plasma source to assess the dominant reactive gas phase species. Different plasma chemistries are obtained by changing the feed gas composition of the cold argon based RF plasma jet from argon, humidified argon (0.27%), to argon/oxygen (1%) and argon/air (1%) at constant power. A minimal consensus physiologic liquid was used, providing isotonic and isohydric conditions and nutrients but is devoid of scavengers or serum constituents. While argon and humidified argon plasma led to the creation of hydrogen peroxide dominated action on the mammalian cells, argonoxygen and argonair plasma created a very different biological action and was characterized by trace amounts of hydrogen peroxide only. In particular, for the argonoxygen (1%), the authors observed a strong negative effect on mammalian cell proliferation and metabolism. This effect was distance dependent and showed a half life time of 30 min in a scavenger free physiologic buffer. Neither catalase and mannitol nor superoxide dismutase could rescue the cell proliferation rate. The strong distance dependency of the effect as well as the low water solubility rules out a major role for ozone and singlet oxygen but suggests a dominant role of atomic oxygen. Experimental results suggest that O reacts with chloride, yielding Cl2 − or ClO−. These chlorine species have a limited lifetime under physiologic conditions and therefore show a strong time dependent biological activity. The outcomes are compared with an argon MHz plasma jet (kinpen) to assess the differences between these (at least seemingly) similar plasma sources.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000357195600036 Publication Date 2015-05-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1934-8630;1559-4106; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.603 Times cited 137 Open Access
Notes Approved Most recent IF: 2.603; 2015 IF: 3.374
Call Number c:irua:126774 Serial 1549
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Author Eckert, M.; Neyts, E.; Bogaerts, A.
Title Insights into the growth of (ultra)nanocrystalline diamond by combined molecular dynamics and Monte Carlo simulations Type A1 Journal article
Year 2010 Publication Crystal growth & design Abbreviated Journal Cryst Growth Des
Volume 10 Issue 7 Pages 3005-3021
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper, we present the results of combined molecular dynamics−Metropolis Monte Carlo (MD-MMC) simulations of hydrocarbon species at flat diamond (100)2 × 1 and (111)1 × 1 surfaces. The investigated species are considered to be the most important growth species for (ultra)nanocrystalline diamond ((U)NCD) growth. When applying the MMC algorithm to stuck species at monoradical sites, bonding changes are only seen for CH2. The sequence of the bond breaking and formation as put forward by the MMC simulations mimics the insertion of CH2 into a surface dimer as proposed in the standard growth model of diamond. For hydrocarbon species attached to two adjacent radical (biradical) sites, the MMC simulations give rise to significant changes in the bonding structure. For UNCD, the combinations of C3 and C3H2, and C3 and C4H2 (at diamond (100)2 × 1) and C and C2H2 (at diamond (111)1 × 1) are the most successful in nucleating new crystal layers. For NCD, the following combinations pursue the diamond structure the best: C2H2 and C3H2 (at diamond (100)2 × 1) and CH2 and C2H2 (at diamond (111)1 × 1). The different behaviors of the hydrocarbon species at the two diamond surfaces are related to the different sterical hindrances at the diamond surfaces.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000279422700032 Publication Date 2010-05-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1528-7483;1528-7505; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.055 Times cited 13 Open Access
Notes Approved Most recent IF: 4.055; 2010 IF: 4.390
Call Number UA @ lucian @ c:irua:83065 Serial 1675
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Author Eckert, M.; Neyts, E.; Bogaerts, A.
Title Modeling adatom surface processes during crystal growth: a new implementation of the Metropolis Monte Carlo algorithm Type A1 Journal article
Year 2009 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 11 Issue 8 Pages 1597-1608
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper, a new implementation of the Metropolis Monte Carlo (MMC) algorithm is presented. When combining the MMC model with a molecular dynamics (MD) code, crystal growth by plasma-enhanced chemical vapor deposition can be simulated. As the MD part simulates impacts of growth species onto the surface on a time scale of picoseconds, the MMC algorithm simulates the slower adatom surface processes. The implementation includes a criterion for the selection of atoms that are allowed to be displaced during the simulation, and a criterion of after how many MMC cycles the simulation is stopped. We performed combined MD-MMC simulations for hydrocarbon species that are important for the growth of ultrananocrystalline diamond (UNCD) films at partially hydrogenated diamond surfaces, since this implementation is part of a study of the growth mechanisms of (ultra)nanocrystalline diamond films. Exemplary for adatom arrangements during the growth of UNCD, the adatom surface behavior of C and C2H2 at diamond (111)1 × 1, C and C4H2 at diamond (111)1 × 1 and C3 at diamond (100)2 × 1 has been investigated. For all cases, the diamond crystal structure is pursued under the influence of MMC simulation. Additional longer time-scale MD simulations put forward very similar structures, verifying the MMC algorithm. Nevertheless, the MMC simulation time is typically one order of magnitude shorter than the MD simulation time.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000268184300021 Publication Date 2009-04-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1466-8033; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.474 Times cited 15 Open Access
Notes Approved Most recent IF: 3.474; 2009 IF: 4.183
Call Number UA @ lucian @ c:irua:77374 Serial 2106
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Author Gijbels, R.; Bogaerts, A.
Title Modeling of glow discharge ion sources for mass spectrometry: potentials and limitations Type A3 Journal article
Year 1997 Publication Spectroscopy Abbreviated Journal
Volume 9 Issue 2 Pages 8-14
Keywords A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:19600 Serial 2123
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Author Bogaerts, A.; Gijbels, R.
Title Modeling of glow discharge sources with flat and pin cathodes and implications for mass spectrometric analysis Type A1 Journal article
Year 1997 Publication Journal of the American Society of Mass Spectrometry Abbreviated Journal J Am Soc Mass Spectr
Volume 8 Issue Pages 1021-1029
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos A1997XT64300009 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-0305;1879-1123; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.786 Times cited 15 Open Access
Notes Approved Most recent IF: 2.786; 1997 IF: 2.855
Call Number UA @ lucian @ c:irua:19606 Serial 2125
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Author Bogaerts, A.; Gijbels, R.
Title Modeling of glow discharges: what can we learn from it? Type A3 Journal article
Year 1997 Publication Analytical chemistry A-pages Abbreviated Journal
Volume 69 Issue Pages 719-727
Keywords A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:19611 Serial 2126
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Author Bogaerts, A.; Kolev, I.
Title Modeling of magnetron and glow discharges Type A1 Journal article
Year 2002 Publication Le vide: science, technique et applications Abbreviated Journal
Volume 57 Issue 304 Pages 296-307
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:40185 Serial 2128
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Author Bogaerts, A.; Gijbels, R.
Title Modeling of radio-frequency and direct current glow discharges in argon Type A3 Journal article
Year 2000 Publication Journal of technical physics Abbreviated Journal
Volume 41 Issue 1 Pages 183-202
Keywords A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:28316 Serial 2131
Permanent link to this record
 

 
Author de Bleecker, K.; Bogaerts, A.
Title Modeling of the synthesis and subsequent growth of nanoparticles in dusty plasmas Type A1 Journal article
Year 2007 Publication High temperature material processes Abbreviated Journal High Temp Mater P-Us
Volume 11 Issue Pages 21-36
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000246372200003 Publication Date 2008-01-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1093-3611; ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:63996 Serial 2136
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Author Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M.
Title Modeling PECVD growth of nanostructured carbon materials Type A1 Journal article
Year 2009 Publication High temperature material processes Abbreviated Journal High Temp Mater P-Us
Volume 13 Issue 3/4 Pages 399-412
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We present here some of our modeling efforts for PECVD growth of nanostructured carbon materials with focus on amorphous hydrogenated carbon. Experimental data from an expanding thermal plasma setup were used as input for the simulations. Attention was focused both on the film growth mechanism, as well as on the hydrocarbon reaction mechanisms during growth of the films. It is found that the reaction mechanisms and sticking coefficients are dependent on the specific surface sites, and the structural properties of the growth radicals. The film growth results are in correspondence with the experiment. Furthermore, it is found that thin a-C:H films can be densified using an additional H-flux towards the substrate.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000274202300012 Publication Date 2010-02-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1093-3611; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:80991 Serial 2138
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Author Herrebout, D.; Bogaerts, A.; Gijbels, R.
Title Modelleren van plasmas gebruikt voor de afzetting van dunne lagen Type A2 Journal article
Year 2004 Publication Chemie magazine Abbreviated Journal
Volume Issue 2 Pages 34-38
Keywords A2 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0379-7651 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:82302 Serial 2149
Permanent link to this record
 

 
Author Jian-Ping, N.; Xiao-Dan, L.; Cheng-Li, Z.; You-Min, Q.; Ping-Ni, H.; Bogaerts, A.; Fu-Jun, G.
Title Molecular dynamics simulation of temperature effects on CF(3)(+) etching of Si surface Type A1 Journal article
Year 2010 Publication Wuli xuebao Abbreviated Journal Acta Phys Sin-Ch Ed
Volume 59 Issue 10 Pages 7225-7231
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Molecular dynamics method was employed to investigate the effects of the reaction layer formed near the surface region on CF(3)(+) etching of Si at different temperatures. The simulation results show that the coverages of F and C are sensitive to the surface temperature. With increasing temperature, the physical etching is enhanced, while the chemical etching is weakened. It is found that with increasing surface temperature, the etching rate of Si increases. As to the etching products, the yields of SiF and SiF(2) increase with temperature, whereas the yield of SiF(3) is not sensitive to the surface temperature. And the increase of the etching yield is mainly due to the increased desorption of SiF and SiF(2). The comparison shows that the reactive layer plays an important part in the subsequeat impacting, which enhances the etching rate of Si and weakens the chemical etching intensity.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1000-3290 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.624 Times cited Open Access
Notes Approved Most recent IF: 0.624; 2010 IF: 1.259
Call Number UA @ lucian @ c:irua:95564 Serial 2171
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Author Bogaerts, A.; de Bleecker, K.; Georgieva, V.; Herrebout, D.; Kolev, I.; Madani, M.; Neyts, E.
Title Numerical modeling for a better understanding of gas discharge plasmas Type A1 Journal article
Year 2005 Publication High temperature material processes Abbreviated Journal High Temp Mater P-Us
Volume 9 Issue 3 Pages 321-344
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000231634100001 Publication Date 2005-10-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1093-3611; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:55832 Serial 2398
Permanent link to this record
 

 
Author Neyts, E.; Yan, M.; Bogaerts, A.; Gijbels, R.
Title PIC-MC simulation of an RF capacitively coupled Ar/H2 discharge Type A1 Journal article
Year 2003 Publication Nuclear instruments and methods in physics research: B Abbreviated Journal Nucl Instrum Meth B
Volume 202 Issue Pages 300-304
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000182122500048 Publication Date 2003-03-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0168-583X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.109 Times cited 8 Open Access
Notes Approved Most recent IF: 1.109; 2003 IF: 1.041
Call Number UA @ lucian @ c:irua:44015 Serial 2620
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Author Snoeckx, R.; Zeng, Y.X.; Tu, X.; Bogaerts, A.
Title Plasma-based dry reforming : improving the conversion and energy efficiency in a dielectric barrier discharge Type A1 Journal article
Year 2015 Publication RSC advances Abbreviated Journal Rsc Adv
Volume 5 Issue 5 Pages 29799-29808
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Dry reforming of methane has gained significant interest over the years. A novel reforming technique with great potential is plasma technology. One of its drawbacks, however, is energy consumption. Therefore, we performed an extensive computational study, supported by experiments, aiming to identify the influence of the operating parameters (gas mixture, power, residence time and frequency) of a dielectric barrier discharge plasma on the conversion and energy efficiency, and to investigate which of these parameters lead to the most promising results and whether these are eventually sufficient for industrial implementation. The best results, in terms of both energy efficiency and conversion, are obtained at a specific energy input (SEI) of 100 J cm−3, a 1090 CH4CO2 ratio, 10 Hz, a residence time of 1 ms, resulting in a total conversion of 84% and an energy efficiency of 8.5%. In general, increasing the CO2 content in the gas mixture leads to a higher conversion and energy efficiency. The SEI couples the effect of the power and residence time, and increasing the SEI always results in a higher conversion, but somewhat lower energy efficiencies. The effect of the frequency is more complicated: we observed that the product of frequency (f) and residence time (τ), being a measure for the total number of micro-discharge filaments which the gas molecules experience when passing through the reactor, was critical. For most cases, a higher number of filaments yields higher values for conversion and energy efficiency. To benchmark our model predictions, we also give an overview of measured conversions and energy efficiencies reported in the literature, to indicate the potential for improvement compared to the state-of-the art. Finally, we identify the limitations as well as the benefits and future possibilities of plasma technology.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000352789500026 Publication Date 2015-03-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.108 Times cited 67 Open Access
Notes Approved Most recent IF: 3.108; 2015 IF: 3.840
Call Number c:irua:132577 Serial 2629
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Author Berezhnoi, S.; Kaganovich, I.; Misina, M.; Bogaerts, A.; Gijbels, R.
Title Semianalytical description of nonlocal secondary electrons in a radio-frequency capacitively coupled plasma at intermediate pressures Type A1 Journal article
Year 1999 Publication IEEE transactions plasma science Abbreviated Journal Ieee T Plasma Sci
Volume 27 Issue Pages 1339-1347
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000083453000014 Publication Date 2002-08-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0093-3813; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.052 Times cited 7 Open Access
Notes Approved Most recent IF: 1.052; 1999 IF: 1.085
Call Number UA @ lucian @ c:irua:28314 Serial 2980
Permanent link to this record
 

 
Author Herrebout, D.; Bogaerts, A.; Goedheer, W.; Dekempeneer, E.; Gijbels, R.
Title Simulation of plasma processes in plasma assisted CVD reactors Type P1 Proceeding
Year 1999 Publication Abbreviated Journal
Volume Issue Pages 213-214
Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000165992500107 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:104309 Serial 3013
Permanent link to this record
 

 
Author Elmonov, A.A.; Yusupov, M.S.; Dzhurakhalov, A.A.; Bogaerts, A.
Title Sputtering of Si(001) and SiC(001) by grazing ion bombardment Type P1 Proceeding
Year 2008 Publication Abbreviated Journal
Volume Issue Pages 209-213
Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The peculiarities of sputtering processes at 0.5-5 keV Ne grazing ion bombardment of Si(001) and SiC(001) surfaces and their possible application for the surface modification have been studied by computer simulation. Sputtering yields in the primary knock-on recoil atoms regime versus the initial energy of incident ions (E(0) = 0.5-5 keV) and angle of incidence (psi = 0-30 degrees) counted from a target surface have been calculated. Comparative studies of layer-by-layer sputtering for Si(001) and SiC(001) surfaces versus the initial energy of incident ions as well as an effective sputtering and sputtering threshold are discussed.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue 84 Edition
ISSN 978-86-80019-27-7 ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:95704 Serial 3112
Permanent link to this record
 

 
Author Kamaraj, B.; Bogaerts, A.
Title Structure and function of p53-DNA complexes with inactivation and rescue mutations : a molecular dynamics simulation study Type A1 Journal article
Year 2015 Publication PLoS ONE Abbreviated Journal Plos One
Volume 10 Issue 10 Pages e0134638
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The tumor suppressor protein p53 can lose its function upon DNA-contact mutations (R273C and R273H) in the core DNA-binding domain. The activity can be restored by second-site suppressor or rescue mutations (R273CT284R, R273HT284R, and R273HS240R). In this paper, we elucidate the structural and functional consequence of p53 proteins upon DNA-contact mutations and rescue mutations and the underlying mechanisms at the atomic level by means of molecular dynamics simulations. Furthermore, we also apply the docking approach to investigate the binding phenomena between the p53 protein and DNA upon DNA-contact mutations and rescue mutations. This study clearly illustrates that, due to DNA-contact mutants, the p53 structure loses its stability and becomes more rigid than the native protein. This structural loss might affect the p53-DNA interaction and leads to inhibition of the cancer suppression. Rescue mutants (R273CT284R, R273HT284R and R273HS240R) can restore the functional activity of the p53 protein upon DNA-contact mutations and show a good interaction between the p53 protein and a DNA molecule, which may lead to reactivate the cancer suppression function. Understanding the effects of p53 cancer and rescue mutations at the molecular level will be helpful for designing drugs for p53 associated cancer diseases. These drugs should be designed so that they can help to inhibit the abnormal function of the p53 protein and to reactivate the p53 function (cell apoptosis) to treat human cancer.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000359061400096 Publication Date 2015-08-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-6203; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.806 Times cited Open Access
Notes Approved Most recent IF: 2.806; 2015 IF: 3.234
Call Number c:irua:126779 Serial 3278
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Author Ozkan, A.; Dufour, T.; Arnoult, G.; De Keyzer, P.; Bogaerts, A.; Reniers, F.
Title CO2-CH4 conversion and syngas formation at atmospheric pressure using a multi-electrode dielectric barrier discharge Type A1 Journal article
Year 2015 Publication Journal of CO2 utilization Abbreviated Journal J Co2 Util
Volume 9 Issue 9 Pages 74-81
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The conversion of CO2 and CH4 into value-added chemicals is studied in a new geometry of a dielectric barrier discharge (DBD) with multi-electrodes, dedicated to the treatment of high gas flow rates. Gas chromatography is used to define the CO2 and CH4 conversion as well as the yields of the products of decomposition (CO, O2 and H2) and of recombination (C2H4, C2H6 and CH2O). The influence of three parameters is investigated on the conversion: the CO2 and CH4 flow rates, the plasma power and the nature of the carrier gas (argon or helium). The energy efficiency of the CO2 conversion is estimated and compared with those of similar atmospheric plasma sources. Our DBD reactor shows a good compromise between a good energy efficiency and the treatment of a large CO2 flow rate.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000350088700010 Publication Date 2015-01-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2212-9820; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.292 Times cited 57 Open Access
Notes Approved Most recent IF: 4.292; 2015 IF: 3.091
Call Number c:irua:123029 Serial 3522
Permanent link to this record
 

 
Author Georgieva, V.; Voter, A.F.; Bogaerts, A.
Title Understanding the surface diffusion processes during magnetron sputter-deposition of complex oxide Mg-Al-O thin films Type A1 Journal article
Year 2011 Publication Crystal growth & design Abbreviated Journal Cryst Growth Des
Volume 11 Issue 6 Pages 2553-2558
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract It is known that film structure may change dramatically with the extent of surface diffusion during the film growth process. In the present work, surface diffusion, induced thermally or activated by energetic impacts, is investigated theoretically under conditions appropriate for magnetron sputter-deposition of MgAlO thin films with varying stoichiometry. The distribution of surface diffusion energy barriers available to the system was determined for each stoichiometry, which allowed assessing in a qualitative way how much surface diffusion will take place on the time scale available between deposition events. The activation energy barriers increase with the Al concentration in the film, and therefore, the surface diffusion rates in the time frame of typical deposition rates drop, which can explain the decrease in crystallinity in the film structure and the transition to amorphous structure. The deposition process and the immediate surface diffusion enhanced by the energetic adatoms are simulated by means of a molecular dynamics model. The longer-time thermal surface diffusion and the energy landscape are studied by the temperature accelerated dynamics method, applied in an approximate way. The surface diffusion enhanced by the energetic impacts appears to be very important for the film structure in the low-temperature deposition regime.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000291074600068 Publication Date 2011-04-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1528-7483;1528-7505; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.055 Times cited 14 Open Access
Notes Approved Most recent IF: 4.055; 2011 IF: 4.720
Call Number UA @ lucian @ c:irua:89566 Serial 3806
Permanent link to this record
 

 
Author Paunska, T.; Trenchev, G.; Bogaerts, A.; Kolev, S.
Title A 2D model of a gliding arc discharge for CO2conversion Type P1 Proceeding
Year 2019 Publication AIP conference proceedings T2 – 10th Jubilee Conference of the Balkan-Physical-Union (BPU), AUG 26-30, 2018, Sofia, BULGARIA Abbreviated Journal
Volume Issue Pages
Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The study presents a 2D fluid plasma model of a gliding arc discharge for dissociation of CO2 which allows its subsequent conversion into value-added chemicals. The model is based on the balance equations of charged and neutral particles, the electron energy balance equation, the gas thermal balance equation and the current continuity equation. By choosing the modeling domain to be the plane perpendicular to the arc current, the numerical calculations are significantly simplified. Thus, the model allows us to explore the influence of the gas instabilities (turbulences) on the energy efficiency of CO2 conversion. This paper presents results for plasma parameters at different values of the effective turbulent thermal conductivity leading to enhanced energy transport.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000472653800069 Publication Date 2019-02-27
Series Editor Series Title Abbreviated Series Title
Series Volume 2075 Series Issue Edition
ISSN 978-0-7354-1803-5; 978-0-7354-1803-5; 0094-243x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:161422 Serial 6281
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Author Michielsen, I.; Uytdenhouwen, Y.; Bogaerts, A.; Meynen, V.
Title Altering conversion and product selectivity of dry reforming of methane in a dielectric barrier discharge by changing the dielectric packing material Type A1 Journal article
Year 2019 Publication Catalysts Abbreviated Journal Catalysts
Volume 9 Issue 1 Pages 51
Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We studied the influence of dense, spherical packing materials, with different chemical compositions, on the dry reforming of methane (DRM) in a dielectric barrier discharge (DBD) reactor. Although not catalytically activated, a vast effect on the conversion and product selectivity could already be observed, an influence which is often neglected when catalytically activated plasma packing materials are being studied. The alpha-Al2O3 packing material of 2.0-2.24 mm size yields the highest total conversion (28%), as well as CO2 (23%) and CH4 (33%) conversion and a high product fraction towards CO (similar to 70%) and ethane (similar to 14%), together with an enhanced CO/H-2 ratio of 9 in a 4.5 mm gap DBD at 60 W and 23 kHz. gamma-Al2O3 is only slightly less active in total conversion (22%) but is even more selective in products formed than alpha-Al2O3 BaTiO3 produces substantially more oxygenated products than the other packing materials but is the least selective in product fractions and has a clear negative impact on CO2 conversion upon addition of CH4. Interestingly, when comparing to pure CO2 splitting and when evaluating differences in products formed, significantly different trends are obtained for the packing materials, indicating a complex impact of the presence of CH4 and the specific nature of the packing materials on the DRM process.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000459732000051 Publication Date 2019-01-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2073-4344 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
Impact Factor 3.082 Times cited 4 Open Access OpenAccess
Notes Approved Most recent IF: 3.082
Call Number UA @ admin @ c:irua:158666 Serial 5268
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Author Trenchev, G.; Nikiforov, A.; Wang, W.; Kolev, S.; Bogaerts, A.
Title Atmospheric pressure glow discharge for CO2 conversion : model-based exploration of the optimum reactor configuration Type A1 Journal article
Year 2019 Publication Chemical engineering journal Abbreviated Journal Chem Eng J
Volume 362 Issue 362 Pages 830-841
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We investigate the performance of an atmospheric pressure glow discharge (APGD) reactor for CO2 conversion in three different configurations, through experiments and simulations. The first (basic) configuration utilizes the well-known pin-to-plate design, which offers a limited conversion. The second configuration improves the reactor performance by employing a vortex-flow generator. The third, “confined” configuration is a complete redesign of the reactor, which encloses the discharge in a limited volume, significantly surpassing the conversion rate of the other two designs. The plasma properties are investigated using an advanced plasma model.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000457863500084 Publication Date 2019-01-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.216 Times cited 4 Open Access Not_Open_Access: Available from 15.10.2019
Notes Approved Most recent IF: 6.216
Call Number UA @ admin @ c:irua:157459 Serial 5269
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Author Jafarzadeh, A.; Bal, K.M.; Bogaerts, A.; Neyts, E.C.
Title CO2 activation on TiO2-supported Cu5 and Ni5 nanoclusters : effect of plasma-induced surface charging Type A1 Journal article
Year 2019 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 123 Issue 11 Pages 6516-6525
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Surface charging is an often overlooked factor in many plasma-surface interactions and in particular in plasma catalysis. In this study, we investigate the effect of excess electrons induced by a plasma on the adsorption properties of CO2 on titania-supported Cu-5 and Ni-5 clusters using spin-polarized and dispersion-corrected density functional theory calculations. The effect of excess electrons on the adsorption of Ni and Cu pentamers as well as on CO2 adsorption on a pristine anatase TiO2(101) slab is studied. Our results indicate that adding plasma-induced excess electrons to the system leads to further stabilization of the bent CO2 structure. Also, dissociation of CO2 on charged clusters is energetically more favorable than on neutral clusters. We hypothesize that surface charge is a plausible cause for the synergistic effects sometimes observed in plasma catalysis.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000462260700024 Publication Date 2019-02-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 4 Open Access OpenAccess
Notes Approved Most recent IF: 4.536
Call Number UA @ admin @ c:irua:159422 Serial 5281
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Author Van der Paal, J.; Fridman, G.; Bogaerts, A.
Title Ceramide cross-linking leads to pore formation: Potential mechanism behind CAP enhancement of transdermal drug delivery Type A1 Journal article
Year 2019 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 16 Issue 16 Pages 1900122
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In recent years, cold atmospheric plasma (CAP) has been proposed as a novel method to enhance transdermal drug delivery, while avoiding tissue damage. However, the underlying mechanism for the increasing skin permeability upon CAP treatment is still undefined. We propose a mechanism in which CAP-generated reactive species induce cross-linking of skin lipids, leading to the generation of nanopores, thereby facilitating the permeation of drug molecules. Molecular dynamics simulations support this proposed mechanism. Furthermore, our results indicate that to achieve maximum enhancement of the permeability, the optimal treatment will depend on the exact lipid composition of the skin, as well as on the CAP source used.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000479747500001 Publication Date 2019-07-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.846 Times cited Open Access
Notes Approved Most recent IF: 2.846
Call Number UA @ admin @ c:irua:161874 Serial 6287
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Author Van der Paal, J.; Hong, S.-H.; Yusupov, M.; Gaur, N.; Oh, J.-S.; Short, R.D.; Szili, E.J.; Bogaerts, A.
Title How membrane lipids influence plasma delivery of reactive oxygen species into cells and subsequent DNA damage : an experimental and computational study Type A1 Journal article
Year 2019 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 21 Issue 35 Pages 19327-19341
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The mechanisms of plasma in medicine are broadly attributed to plasma-derived reactive oxygen and nitrogen species (RONS). In order to exert any intracellular effects, these plasma-derived RONS must first traverse a major barrier in the cell membrane. The cell membrane lipid composition, and thereby the magnitude of this barrier, is highly variable between cells depending on type and state (e.g. it is widely accepted that healthy and cancerous cells have different membrane lipid compositions). In this study, we investigate how plasma-derived RONS interactions with lipid membrane components can potentially be exploited in the future for treatment of diseases. We couple phospholipid vesicle experiments, used as simple cell models, with molecular dynamics (MD) simulations of the lipid membrane to provide new insights into how the interplay between phospholipids and cholesterol may influence the response of healthy and diseased cell membranes to plasma-derived RONS. We focus on the (i) lipid tail saturation degree, (ii) lipid head group type, and (iii) membrane cholesterol fraction. Using encapsulated molecular probes, we study the influence of the above membrane components on the ingress of RONS into the vesicles, and subsequent DNA damage. Our results indicate that all of the above membrane components can enhance or suppress RONS uptake, depending on their relative concentration within the membrane. Further, we show that higher RONS uptake into the vesicles does not always correlate with increased DNA damage, which is attributed to ROS reactivity and lifetime. The MD simulations indicate the multifactorial chemical and physical processes at play, including (i) lipid oxidation, (ii) lipid packing, and (iii) lipid rafts formation. The methods and findings presented here provide a platform of knowledge that could be leveraged in the development of therapies relying on the action of plasma, in which the cell membrane and oxidative stress response in cells is targeted.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000486175400045 Publication Date 2019-08-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 1 Open Access
Notes Approved Most recent IF: 4.123
Call Number UA @ admin @ c:irua:162782 Serial 6303
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Author Zhou, R.; Zhou, R.; Xian, Y.; Fang, Z.; Lu, X.; Bazaka, K.; Bogaerts, A.; Ostrikov, K.(K.)
Title Plasma-enabled catalyst-free conversion of ethanol to hydrogen gas and carbon dots near room temperature Type A1 Journal article
Year 2020 Publication Chemical Engineering Journal Abbreviated Journal Chem Eng J
Volume 382 Issue 382 Pages 122745
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Selective conversion of bio-renewable ethanol under mild conditions especially at room temperature remains a major challenge for sustainable production of hydrogen and valuable carbon-based materials. In this study, adaptive non-thermal plasma is applied to deliver pulsed energy to rapidly and selectively reform ethanol in the absence of a catalyst. Importantly, the carbon atoms in ethanol that would otherwise be released into the environment in the form of CO or CO2 are effectively captured in the form of carbon dots (CDs). Three modes of non-thermal spark plasma discharges, i.e. single spark mode (SSM), multiple spark mode (MSM) and gliding spark mode (GSM), provide additional flexibility in ethanol reforming by controlling the processes of energy transfer and distribution, thereby affecting the flow rate, gas content, and energy consumption in H-2 production. A favourable combination of low temperature (< 40 degrees C), attractive conversion rate (gas flow rate of similar to 120 mL/min), high hydrogen yield (H-2 content > 90%), low energy consumption (similar to 0.96 kWh/m(3) H-2) and the effective generation of photoluminescent CDs (which are applicable for bioimaging or biolabelling) in the MSM indicate that the proposed strategy may offer a new carbon-negative avenue for comprehensive utilization of alcohols and mitigating the increasingly severe energy and environmental issues.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000503381200200 Publication Date 2019-09-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 15.1 Times cited 20 Open Access
Notes ; ; Approved Most recent IF: 15.1; 2020 IF: 6.216
Call Number UA @ admin @ c:irua:165648 Serial 6318
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Author Heirman, P.; Van Boxem, W.; Bogaerts, A.
Title Reactivity and stability of plasma-generated oxygen and nitrogen species in buffered water solution: a computational study Type A1 Journal article
Year 2019 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 21 Issue 24 Pages 12881-12894
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma-treated liquids have great potential for biomedical applications. However, insight into the underlying mechanisms and the exact chemistry is still scarce. In this study, we present the combination of a 0D chemical kinetics and a 2D fluid dynamics model to investigate the plasma treatment of a buffered water solution with the kINPen (R) plasma jet. Using this model, we calculated the gas and liquid flow profiles and the transport and chemistry of all species in the gas and the liquid phase. Moreover, we evaluated the stability of the reactive oxygen and nitrogen species after plasma treatment. We found that of all species, only H2O2, HNO2/NO2-, and HNO3/NO3- are stable in the buffered solution after plasma treatment. This is because both their production and loss processes in the liquid phase are dependent on short-lived radicals (e.g. OH, NO, and NO2). Apart from some discrepancy in the absolute values of the concentrations, which can be explained by the model, all general trends and observations in our model are in qualitative agreement with experimental data and literature.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000472214000012 Publication Date 2019-05-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 7 Open Access
Notes Approved Most recent IF: 4.123
Call Number UA @ admin @ c:irua:161314 Serial 6320
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Author Gorbanev, Y.; Vervloessem, E.; Nikiforov, A.; Bogaerts, A.
Title Nitrogen fixation with water vapor by nonequilibrium plasma : toward sustainable ammonia production Type A1 Journal article
Year 2020 Publication Acs Sustainable Chemistry & Engineering Abbreviated Journal Acs Sustain Chem Eng
Volume 8 Issue 7 Pages 2996-3004
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Ammonia is a crucial nutrient used for plant growth and as a building block in the pharmaceutical and chemical industry, produced via nitrogen fixation of the ubiquitous atmospheric N2. Current industrial ammonia production relies heavily on fossil resources, but a lot of work is put into developing nonfossil-based pathways. Among these is the use of nonequilibrium plasma. In this work, we investigated water vapor as a H source for nitrogen fixation into NH3 by nonequilibrium plasma. The highest selectivity toward NH3 was observed with low amounts of added H2O vapor, but the highest production rate was reached at high H2O vapor contents. We also studied the role of H2O vapor and of the plasma-exposed liquid H2O in nitrogen fixation by using isotopically labeled water to distinguish between these two sources of H2O. We show that added H2O vapor, and not liquid H2O, is the main source of H for NH3 generation. The studied catalyst- and H2-free method offers excellent selectivity toward NH3 (up to 96%), with energy consumption (ca. 95–118 MJ/mol) in the range of many plasma-catalytic H2-utilizing processes.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Editor
Language Wos 000516665500045 Publication Date 2020-02-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2168-0485 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.4 Times cited 14 Open Access
Notes ; This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), the Catalisti Moonshot project P2C, and the Methusalem project of the University of Antwerp. ; Approved Most recent IF: 8.4; 2020 IF: 5.951
Call Number UA @ admin @ c:irua:167134 Serial 6568
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